Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.52 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | NAAA | Q02083 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.39 |
| ▸ | FKBP1A | P62942 | 2/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9267046 | 1.00 | CYP1A2 (0.56) | CYP1A2SIGMAR1EPHX1HRH3SMN1; SMN2 | |
| SCHEMBL14739553 | 0.97 | CYP1A2 (0.52) | CYP1A2SIGMAR1EPHX1HRH3SMN1; SMN2 | |
| SCHEMBL14740174 | 0.92 | SIGMAR1 (0.56) | CYP1A2SIGMAR1EPHX1NAAA | |
| SCHEMBL29101112 | 0.92 | SIGMAR1 (0.56) | CYP1A2SIGMAR1EPHX1NAAA | |
| SCHEMBL14740413 | 0.89 | SIGMAR1 (0.52) | CYP1A2SIGMAR1EPHX1NAAA | |
| SCHEMBL6437482 | 0.89 | CYP1A2 (0.64) | CYP1A2SIGMAR1EPHX1HRH3SMN1; SMN2 | |
| SCHEMBL16387827 | 0.89 | CYP1A2 (0.71) | CYP1A2SIGMAR1EPHX1HRH3SMN1; SMN2 | |
| SCHEMBL11022579 | 0.89 | CYP1A2 (0.46) | CYP1A2SIGMAR1EPHX1HRH3SMN1; SMN2 | |
| SCHEMBL11022936 | 0.89 | CYP1A2 (0.46) | CYP1A2SIGMAR1EPHX1HRH3SMN1; SMN2 | |
| SCHEMBL11224710 | 0.86 | CYP1A2 (0.46) | CYP1A2SIGMAR1EPHX1SMN1; SMN2NFE2L2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117013085-A | Weak solvation electrolyte and lithium-sulfur battery and lithium ion battery containing same | 中国科学院苏州纳米技术与纳米仿生研究所 | 2023-11-07 | — | — | CN | disclosed |